Chemical ID: 5248352

c1cc(c(cc1N)F)[N+](=O)[O-]
Chemical ID:
5248352
Name [?]:
3-fluoro-4-nitro-aniline
SMILES [?]:
c1cc(c(cc1N)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H5FN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,3,8,7,9,10,11/E:(10,11)/CRV:9.5/rA:11nCCCCCCNFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5FN2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-1.26511
Area:292.182
Solvation:-8.56966
Coulombic:-29.3577
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:156.115
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.13
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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